Dataset

Methiocarb-TP methiocarb sulfone phenol (M05); LC-ESI-QFT; MS2; CE: 180%; R=17500; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ420459 contains the MS2 mass spectrum of Methiocarb-TP methiocarb sulfone phenol (M05) with the InChIkey GRBGKIGVRUXTSK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H12O3S/c1-6-4-8(10)5-7(2)9(6)13(3,11)12/h4-5,10H,1-3H3
SMILES CC1=CC(O)=CC(C)=C1S(C)(=O)=O
InChI Key GRBGKIGVRUXTSK-UHFFFAOYSA-N
Molecular Formula C9H12O3S
Exact Mass 200.051 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ420459
Version
Author
Maintainer
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MetadataPublished 2019-12-03
Related Molecule
  • 3,5-dimethyl-4-methylsulfonylphenol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    13548324 surechembl
    203615 pubchem
    G92SF33LLA fdasrs
    The data in this table is sourced from UniChem at EBI.